Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 8/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 5/20 | 0.45 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 7/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL6337377 | 1.00 | NOS2 (0.67) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| SCHEMBL6331782 | 0.89 | NOS2 (0.59) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| Fumaric Acid SCHEMBL6332528 | 0.87 | NOS2 (0.67) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| Fumaric Acid SCHEMBL6332522 | 0.87 | NOS2 (0.67) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| Fumaric Acid SCHEMBL6330518 | 0.86 | NOS2 (0.65) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Fumaric Acid SCHEMBL6330526 | 0.86 | NOS2 (0.65) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Fumaric Acid SCHEMBL6577485 | 0.83 | NOS2 (0.62) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| Fumaric Acid SCHEMBL6577355 | 0.83 | NOS2 (0.62) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| Fumaric Acid SCHEMBL6577352 | 0.83 | NOS2 (0.62) | NOS2SLC6A4CYP2D6SLC6A2KDM4E | |
| SCHEMBL6329815 | 0.82 | NOS2 (0.47) | NOS2CYP2D6KDM4EALDH1A1POLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900243-B2 | Phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2005-05-31 | — | — | US | disclosed |
| EP-1263715-B1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030065174-A1 | Novel phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2003-04-03 | — | — | US | disclosed |
| EP-1263715-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062714-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030065174-A1 | Novel phenylheteroalkylamine derivatives | OPRK1, NOS2, OPRM1 | SLC6A4 2179/4885SLC6A2 2434/4885KCNH2 488/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.